{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" [ 5.74593 5.360931 5.122325 4.948964 4.812724 4.700477 4.605025 4.52199 4.44851 4.382611 4.322875 4.268246 4.217919 4.171267 4.127788 4.087079 4.048807 4.012698 3.978519 3.946076 3.915199 3.885745 3.857589 3.83062 3.803356 3.77526 3.74628 3.716359 3.685433 3.653432 3.62028 3.585889 3.550164 3.512998 3.474269 3.433839 3.391553 3.347232 3.30067 3.251628 3.199827 3.144939 3.086571 3.024253 2.95741 2.885334 2.807136 2.721677 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.745930000000001e-10 5.360931e-10 5.122325000000001e-10 4.948964e-10 4.812724000000001e-10 4.700477e-10 4.6050250000000003e-10 4.52199e-10 4.44851e-10 4.382611e-10 4.322875e-10 4.2682460000000005e-10 4.2179190000000004e-10 4.171267e-10 4.127788e-10 4.0870790000000003e-10 4.048807e-10 4.0126980000000004e-10 3.978519e-10 3.946076e-10 3.915199e-10 3.885745e-10 3.8575890000000003e-10 3.8306200000000004e-10 3.803356e-10 3.77526e-10 3.74628e-10 3.716359e-10 3.685433e-10 3.6534320000000004e-10 3.62028e-10 3.585889e-10 3.550164e-10 3.512998e-10 3.474269e-10 3.433839e-10 3.391553e-10 3.347232e-10 3.3006700000000006e-10 3.251628e-10 3.199827e-10 3.144939e-10 3.086571e-10 3.024253e-10 2.95741e-10 2.885334e-10 2.807136e-10 2.7216770000000004e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ -0.0347394 -0.118404 -0.175988 -0.206362 -0.212019 -0.199212 -0.174202 0.277325 0.491953 0.701202 0.894429 1.06849 1.22502 1.36789 1.50125 1.62853 1.75196 1.87219 1.98822 2.09743 2.19596 2.27937 2.34428 2.3852 2.35267 2.31325 2.26723 2.21258 2.14763 2.07059 1.98818 1.8863 1.76065 1.60665 1.43596 1.23822 1.01351 0.753788 0.433528 0.0765688 -0.339558 -0.828082 -1.40706 -2.10146 -2.94615 -3.98945 -5.29896 -6.97253 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -5.565865495917959e-21 -1.8970412217213597e-20 -2.81963861464392e-20 -3.30628374545508e-20 -3.39691887764046e-20 -3.19172811612408e-20 -2.7910237399606796e-20 4.4432363502405e-20 7.88195601626202e-20 1.1234494601140678e-19 1.433033244571986e-19 1.7119097116626598e-19 1.9626984201826798e-19 2.19160139588226e-19 2.4052676717924997e-19 2.60919271376802e-19 2.80694937570264e-19 2.9995790724084597e-19 3.18547962725148e-19 3.36045333745062e-19 3.51831580119864e-19 3.65195335424058e-19 3.75595063955352e-19 3.8215117074168003e-19 3.769392901512779e-19 3.7062350986005e-19 3.6325029299038197e-19 3.54494397685572e-19 3.44088260447742e-19 3.31745091659406e-19 3.1854155401861196e-19 3.0221857847142e-19 2.8208722906521e-19 2.5741370890160996e-19 2.3006615593586396e-19 1.98384715175148e-19 1.6238220403253398e-19 1.207701520589592e-19 6.94588431784752e-20 1.226767422534192e-20 -5.44031893487772e-20 -1.326733631435988e-19 -2.25435865463604e-19 -3.3669101092856397e-19 -4.720252690259099e-19 -6.3918035725113e-19 -8.48986989650064e-19 -1.117122464586402e-18 ] } }